UCSF

ZINC34401086

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 21 Yes

Other Names:

MFCD28657248

N/A

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.69 8.63 -137.72 0 7 -2 110 291.259 5
Lo Low (pH 4.5-6) -0.69 6.06 -61.84 1 7 -1 107 292.267 5
Lo Low (pH 4.5-6) -0.69 6.52 -49.19 1 7 -1 107 292.267 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )